7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene

C9H9Br — CID 65438345

IUPAC7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
SMILESBrCC1Cc2ccccc21
InChIInChI=1S/C9H9Br/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2
InChIKeyDKGHEEFGNFGYNL-UHFFFAOYSA-N
MW197.07 g/mol
LogP2.72
Rot. Bonds1

About 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene

7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 65438345) has the molecular formula C9H9Br and a molecular weight of 197.07 g/mol. Its IUPAC name is 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
PubChem CID65438345
Molecular FormulaC9H9Br
Molecular Weight197.07 g/mol
Exact Mass195.99
IUPAC Name7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
SMILESBrCC1Cc2ccccc21
InChIInChI=1S/C9H9Br/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2
InChIKeyDKGHEEFGNFGYNL-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.07
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromoethanamine
CID 114505182
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
CID 66419895
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(bromomethyl)azepane
CID 116638369
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105220809
3-(bromomethyl)-2,3-dihydroinden-1-one
CID 10799200
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-bromoethyl)cyclobutanamine
CID 102861027
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
CID 107978498
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,3-dimethylbutan-2-amine
CID 115716884
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene (CID 65438345) is 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene is BrCC1Cc2ccccc21.
What is the InChIKey of 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is DKGHEEFGNFGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6H2.
What are the key properties of 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene?
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 197.07 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 65438345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).